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Compound Detail

CHEMBL177297

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O=C(O)C(=O)CC(=O)c1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177297
Phase Preclinical
Structure Type MOL
InChI Key ROQQLNHLFCKPOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
0.31
ALogP
4
HBA
1
HBD
84.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7NO4
MW 193.16
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
14695815 10.1021/jm0342109 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine